trisodium 7-oxidanylidene-8-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-1,3,6-trisulfonate

Systemtic Name: trisodium 7-oxidanylidene-8-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-1,3,6-trisulfonate Openeye Name: trisodium 7-oxo-8-[(4-phenylazophenyl)hydrazono]naphthalene-1,3,6-trisulfonate CAS Name: trisodium 7-oxo-8-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-1,3,6-trisulfonate IUPAC Name: trisodium 7-oxo-8-[(4-phenyldiazenylphenyl)hydrazinylidene]naphthalene-1,3,6-trisulfonate Traditional Name: trisodium 7-keto-8-[(4-phenylazophenyl)hydrazono]naphthalene-1,3,6-trisulfonate Formula: C22H13N4Na3O10S3 MolecularWeight: 658.52373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NN=C3C4=C(C=C(C=C4C=C(C3=O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NN=C3C4=C(C=C(C=C4C=C(C3=O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H16N4O10S3.3Na/c27-22-19(39(34,35)36)11-13-10-17(37(28,29)30)12-18(38(31,32)33)20(13)21(22)26-25-16-8-6-15(7-9-16)24-23-14-4-2-1-3-5-14;;;/h1-12,25H,(H,28,29,30)(H,31,32,33)(H,34,35,36);;;/q;3*+1/p-3